USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= -0.0897 USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 42 GLN : amide:sc= -6.52! C(o=-12!,f=-33!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -143:sc= -5.55! (180deg=-9.52!) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= -0.93 USER MOD Set 3.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -14.7! C(o=-15!,f=-15!) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00155 USER MOD Single : A 10 SER OG : rot 51:sc= 0.484 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -142:sc= -0.33 (180deg=-1.02) USER MOD Single : A 17 SER OG : rot 63:sc= -0.612! USER MOD Single : A 21 THR OG1 : rot 68:sc= 0.239 USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00657) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 30 ASN : amide:sc= -9.19! C(o=-9.2!,f=-9.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 15:sc= -0.098 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 146:sc= -0.197 (180deg=-1.05) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.31! C(o=-7.3!,f=-11!) USER MOD Single : A 51 THR OG1 : rot -171:sc= -2.5! USER MOD Single : A 55 SER OG : rot 180:sc= -0.315 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.62! C(o=-3.6!,f=-9!) USER MOD Single : A 59 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 63 ASN : amide:sc= -0.56 K(o=-0.56,f=-1.8!) USER MOD Single : A 64 THR OG1 : rot -76:sc= 1.09 USER MOD Single : A 65 THR OG1 : rot -158:sc= -1.11 USER MOD Single : A 69 THR OG1 : rot 76:sc= 0.36 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -119:sc= -1.36 (180deg=-3.17!) USER MOD Single : A 78 ASN : amide:sc= -6.73! C(o=-6.7!,f=-11!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.395 16.943 -4.835 1.00 0.00 N ATOM 38 CA ASP A 3 -7.378 15.874 -4.946 1.00 0.00 C ATOM 39 C ASP A 3 -6.757 14.617 -5.554 1.00 0.00 C ATOM 40 O ASP A 3 -7.177 14.157 -6.615 1.00 0.00 O ATOM 41 CB ASP A 3 -8.565 16.331 -5.794 1.00 0.00 C ATOM 42 CG ASP A 3 -8.133 16.931 -7.118 1.00 0.00 C ATOM 43 OD1 ASP A 3 -7.032 16.585 -7.595 1.00 0.00 O ATOM 44 OD2 ASP A 3 -8.896 17.745 -7.680 1.00 0.00 O ATOM 0 HA ASP A 3 -7.727 15.633 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.223 15.482 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.144 17.067 -5.236 1.00 0.00 H new ATOM 49 N PRO A 4 -5.749 14.043 -4.880 1.00 0.00 N ATOM 50 CA PRO A 4 -5.070 12.829 -5.348 1.00 0.00 C ATOM 51 C PRO A 4 -6.007 11.627 -5.357 1.00 0.00 C ATOM 52 O PRO A 4 -6.649 11.328 -4.351 1.00 0.00 O ATOM 53 CB PRO A 4 -3.950 12.626 -4.323 1.00 0.00 C ATOM 54 CG PRO A 4 -4.413 13.346 -3.106 1.00 0.00 C ATOM 55 CD PRO A 4 -5.198 14.527 -3.603 1.00 0.00 C ATOM 0 HA PRO A 4 -4.709 12.927 -6.372 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.788 11.568 -4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.004 13.029 -4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.031 12.701 -2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.568 13.667 -2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.986 14.811 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.565 15.403 -3.743 1.00 0.00 H new ATOM 63 N THR A 5 -6.103 10.953 -6.499 1.00 0.00 N ATOM 64 CA THR A 5 -6.984 9.809 -6.620 1.00 0.00 C ATOM 65 C THR A 5 -6.214 8.490 -6.623 1.00 0.00 C ATOM 66 O THR A 5 -5.303 8.284 -7.427 1.00 0.00 O ATOM 67 CB THR A 5 -7.836 9.949 -7.882 1.00 0.00 C ATOM 68 OG1 THR A 5 -7.978 8.708 -8.550 1.00 0.00 O ATOM 69 CG2 THR A 5 -7.296 10.957 -8.877 1.00 0.00 C ATOM 0 H THR A 5 -5.583 11.182 -7.346 1.00 0.00 H new ATOM 0 HA THR A 5 -7.636 9.788 -5.747 1.00 0.00 H new ATOM 0 HB THR A 5 -8.801 10.308 -7.523 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.528 8.829 -9.352 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.954 11.000 -9.745 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.248 11.940 -8.409 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.297 10.657 -9.193 1.00 0.00 H new ATOM 77 N ILE A 6 -6.594 7.600 -5.708 1.00 0.00 N ATOM 78 CA ILE A 6 -5.962 6.290 -5.575 1.00 0.00 C ATOM 79 C ILE A 6 -7.009 5.185 -5.612 1.00 0.00 C ATOM 80 O ILE A 6 -8.159 5.404 -5.232 1.00 0.00 O ATOM 81 CB ILE A 6 -5.186 6.180 -4.252 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.448 4.843 -4.170 1.00 0.00 C ATOM 83 CG2 ILE A 6 -6.142 6.327 -3.077 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.293 4.729 -5.141 1.00 0.00 C ATOM 0 H ILE A 6 -7.347 7.767 -5.040 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.271 6.178 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.448 6.981 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.074 4.705 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.154 4.035 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.586 6.248 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.632 7.299 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.894 5.539 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.816 3.755 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.663 4.834 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.566 5.515 -4.936 1.00 0.00 H new ATOM 96 N ASN A 7 -6.620 4.003 -6.078 1.00 0.00 N ATOM 97 CA ASN A 7 -7.567 2.898 -6.155 1.00 0.00 C ATOM 98 C ASN A 7 -8.162 2.536 -4.821 1.00 0.00 C ATOM 99 O ASN A 7 -9.268 2.982 -4.518 1.00 0.00 O ATOM 100 CB ASN A 7 -7.006 1.670 -6.890 1.00 0.00 C ATOM 101 CG ASN A 7 -5.528 1.772 -7.240 1.00 0.00 C ATOM 102 OD1 ASN A 7 -5.128 1.430 -8.352 1.00 0.00 O ATOM 103 ND2 ASN A 7 -4.705 2.241 -6.303 1.00 0.00 N ATOM 0 H ASN A 7 -5.677 3.788 -6.401 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.389 3.271 -6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.161 0.787 -6.269 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.575 1.518 -7.807 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.707 2.326 -6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.073 2.515 -5.392 1.00 0.00 H new ATOM 110 N PRO A 8 -7.525 1.714 -4.004 1.00 0.00 N ATOM 111 CA PRO A 8 -8.121 1.335 -2.767 1.00 0.00 C ATOM 112 C PRO A 8 -7.520 2.046 -1.560 1.00 0.00 C ATOM 113 O PRO A 8 -6.635 2.889 -1.697 1.00 0.00 O ATOM 114 CB PRO A 8 -7.793 -0.131 -2.743 1.00 0.00 C ATOM 115 CG PRO A 8 -6.448 -0.245 -3.396 1.00 0.00 C ATOM 116 CD PRO A 8 -6.241 1.027 -4.182 1.00 0.00 C ATOM 0 HA PRO A 8 -9.180 1.585 -2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.768 -0.512 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.542 -0.711 -3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.664 -0.371 -2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.408 -1.116 -4.050 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.408 1.614 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.029 0.827 -5.232 1.00 0.00 H new ATOM 124 N THR A 9 -8.016 1.694 -0.381 1.00 0.00 N ATOM 125 CA THR A 9 -7.533 2.292 0.849 1.00 0.00 C ATOM 126 C THR A 9 -7.592 1.309 2.018 1.00 0.00 C ATOM 127 O THR A 9 -7.323 1.686 3.158 1.00 0.00 O ATOM 128 CB THR A 9 -8.349 3.541 1.180 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.232 4.505 0.152 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.931 4.202 2.478 1.00 0.00 C ATOM 0 H THR A 9 -8.751 0.998 -0.254 1.00 0.00 H new ATOM 0 HA THR A 9 -6.489 2.566 0.695 1.00 0.00 H new ATOM 0 HB THR A 9 -9.378 3.195 1.280 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.763 5.296 0.383 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.550 5.082 2.654 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.058 3.499 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.885 4.501 2.414 1.00 0.00 H new ATOM 138 N SER A 10 -7.945 0.049 1.747 1.00 0.00 N ATOM 139 CA SER A 10 -8.025 -0.939 2.818 1.00 0.00 C ATOM 140 C SER A 10 -8.214 -2.359 2.288 1.00 0.00 C ATOM 141 O SER A 10 -9.011 -2.596 1.379 1.00 0.00 O ATOM 142 CB SER A 10 -9.170 -0.589 3.771 1.00 0.00 C ATOM 143 OG SER A 10 -8.676 -0.023 4.972 1.00 0.00 O ATOM 0 H SER A 10 -8.174 -0.302 0.817 1.00 0.00 H new ATOM 0 HA SER A 10 -7.075 -0.911 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.849 0.112 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.746 -1.486 3.998 1.00 0.00 H new ATOM 0 HG SER A 10 -8.059 0.709 4.760 1.00 0.00 H new ATOM 149 N ILE A 11 -7.486 -3.302 2.883 1.00 0.00 N ATOM 150 CA ILE A 11 -7.565 -4.705 2.511 1.00 0.00 C ATOM 151 C ILE A 11 -6.971 -5.580 3.609 1.00 0.00 C ATOM 152 O ILE A 11 -6.374 -5.073 4.559 1.00 0.00 O ATOM 153 CB ILE A 11 -6.828 -4.982 1.194 1.00 0.00 C ATOM 154 CG1 ILE A 11 -5.414 -4.396 1.238 1.00 0.00 C ATOM 155 CG2 ILE A 11 -7.609 -4.423 0.016 1.00 0.00 C ATOM 156 CD1 ILE A 11 -4.742 -4.323 -0.110 1.00 0.00 C ATOM 0 H ILE A 11 -6.826 -3.110 3.636 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.620 -4.945 2.377 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.746 -6.061 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.459 -3.394 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.801 -5.001 1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.070 -4.629 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.592 -4.892 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.726 -3.346 0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.745 -3.897 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.663 -5.325 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.332 -3.694 -0.777 1.00 0.00 H new ATOM 168 N SER A 12 -7.133 -6.894 3.484 1.00 0.00 N ATOM 169 CA SER A 12 -6.603 -7.821 4.484 1.00 0.00 C ATOM 170 C SER A 12 -6.180 -9.145 3.854 1.00 0.00 C ATOM 171 O SER A 12 -6.879 -9.695 3.004 1.00 0.00 O ATOM 172 CB SER A 12 -7.639 -8.076 5.578 1.00 0.00 C ATOM 173 OG SER A 12 -8.825 -7.337 5.341 1.00 0.00 O ATOM 0 H SER A 12 -7.622 -7.340 2.708 1.00 0.00 H new ATOM 0 HA SER A 12 -5.720 -7.357 4.924 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.872 -9.140 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.224 -7.801 6.548 1.00 0.00 H new ATOM 0 HG SER A 12 -9.472 -7.519 6.054 1.00 0.00 H new ATOM 179 N ALA A 13 -5.030 -9.652 4.289 1.00 0.00 N ATOM 180 CA ALA A 13 -4.503 -10.909 3.788 1.00 0.00 C ATOM 181 C ALA A 13 -3.298 -11.353 4.619 1.00 0.00 C ATOM 182 O ALA A 13 -2.643 -10.537 5.269 1.00 0.00 O ATOM 183 CB ALA A 13 -4.129 -10.778 2.321 1.00 0.00 C ATOM 0 H ALA A 13 -4.444 -9.204 4.993 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.277 -11.672 3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.736 -11.728 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.013 -10.508 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.370 -10.004 2.207 1.00 0.00 H new ATOM 189 N LYS A 14 -3.011 -12.647 4.591 1.00 0.00 N ATOM 190 CA LYS A 14 -1.880 -13.192 5.334 1.00 0.00 C ATOM 191 C LYS A 14 -0.569 -12.751 4.695 1.00 0.00 C ATOM 192 O LYS A 14 -0.488 -12.614 3.475 1.00 0.00 O ATOM 193 CB LYS A 14 -1.953 -14.719 5.386 1.00 0.00 C ATOM 194 CG LYS A 14 -1.068 -15.336 6.457 1.00 0.00 C ATOM 195 CD LYS A 14 -1.760 -16.494 7.154 1.00 0.00 C ATOM 196 CE LYS A 14 -3.079 -16.060 7.779 1.00 0.00 C ATOM 197 NZ LYS A 14 -4.248 -16.600 7.032 1.00 0.00 N ATOM 0 H LYS A 14 -3.543 -13.339 4.063 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.923 -12.810 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.986 -15.019 5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.667 -15.121 4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.139 -15.685 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.800 -14.576 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.942 -17.295 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.106 -16.899 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.120 -16.400 8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.131 -14.971 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.003 -15.885 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.960 -16.837 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.599 -17.455 7.508 1.00 0.00 H new ATOM 211 N ALA A 15 0.450 -12.529 5.509 1.00 0.00 N ATOM 212 CA ALA A 15 1.734 -12.111 4.978 1.00 0.00 C ATOM 213 C ALA A 15 2.305 -13.188 4.087 1.00 0.00 C ATOM 214 O ALA A 15 2.794 -14.222 4.546 1.00 0.00 O ATOM 215 CB ALA A 15 2.711 -11.732 6.084 1.00 0.00 C ATOM 0 H ALA A 15 0.414 -12.629 6.523 1.00 0.00 H new ATOM 0 HA ALA A 15 1.574 -11.214 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.659 -11.425 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.299 -10.908 6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.875 -12.591 6.735 1.00 0.00 H new ATOM 221 N GLY A 16 2.192 -12.935 2.802 1.00 0.00 N ATOM 222 CA GLY A 16 2.642 -13.863 1.803 1.00 0.00 C ATOM 223 C GLY A 16 1.581 -14.029 0.749 1.00 0.00 C ATOM 224 O GLY A 16 1.868 -14.061 -0.434 1.00 0.00 O ATOM 0 H GLY A 16 1.785 -12.079 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.566 -13.504 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.866 -14.826 2.262 1.00 0.00 H new ATOM 228 N SER A 17 0.330 -14.067 1.187 1.00 0.00 N ATOM 229 CA SER A 17 -0.776 -14.186 0.270 1.00 0.00 C ATOM 230 C SER A 17 -0.916 -12.902 -0.531 1.00 0.00 C ATOM 231 O SER A 17 -1.880 -12.708 -1.277 1.00 0.00 O ATOM 232 CB SER A 17 -2.049 -14.450 1.064 1.00 0.00 C ATOM 233 OG SER A 17 -1.841 -14.278 2.455 1.00 0.00 O ATOM 0 H SER A 17 0.064 -14.017 2.171 1.00 0.00 H new ATOM 0 HA SER A 17 -0.600 -15.011 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.835 -13.775 0.727 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.396 -15.465 0.870 1.00 0.00 H new ATOM 0 HG SER A 17 -1.598 -13.346 2.637 1.00 0.00 H new ATOM 239 N PHE A 18 0.056 -12.024 -0.375 1.00 0.00 N ATOM 240 CA PHE A 18 0.059 -10.763 -1.053 1.00 0.00 C ATOM 241 C PHE A 18 0.949 -10.818 -2.272 1.00 0.00 C ATOM 242 O PHE A 18 2.074 -10.325 -2.251 1.00 0.00 O ATOM 243 CB PHE A 18 0.559 -9.709 -0.094 1.00 0.00 C ATOM 244 CG PHE A 18 -0.376 -9.436 1.037 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.522 -8.682 0.845 1.00 0.00 C ATOM 246 CD2 PHE A 18 -0.107 -9.932 2.302 1.00 0.00 C ATOM 247 CE1 PHE A 18 -2.382 -8.429 1.894 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.963 -9.681 3.355 1.00 0.00 C ATOM 249 CZ PHE A 18 -2.101 -8.928 3.151 1.00 0.00 C ATOM 0 H PHE A 18 0.864 -12.175 0.229 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.951 -10.522 -1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.521 -10.024 0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.732 -8.783 -0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.745 -8.288 -0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.783 -10.522 2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.274 -7.842 1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.743 -10.073 4.337 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.772 -8.729 3.974 1.00 0.00 H new ATOM 259 N ALA A 19 0.442 -11.419 -3.327 1.00 0.00 N ATOM 260 CA ALA A 19 1.209 -11.534 -4.558 1.00 0.00 C ATOM 261 C ALA A 19 1.396 -10.164 -5.187 1.00 0.00 C ATOM 262 O ALA A 19 0.531 -9.298 -5.071 1.00 0.00 O ATOM 263 CB ALA A 19 0.516 -12.481 -5.528 1.00 0.00 C ATOM 0 H ALA A 19 -0.489 -11.834 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 19 2.191 -11.944 -4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.102 -12.556 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.426 -13.467 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.477 -12.098 -5.763 1.00 0.00 H new ATOM 269 N ASP A 20 2.544 -9.965 -5.838 1.00 0.00 N ATOM 270 CA ASP A 20 2.861 -8.684 -6.468 1.00 0.00 C ATOM 271 C ASP A 20 1.604 -8.026 -7.019 1.00 0.00 C ATOM 272 O ASP A 20 0.858 -8.634 -7.787 1.00 0.00 O ATOM 273 CB ASP A 20 3.880 -8.885 -7.588 1.00 0.00 C ATOM 274 CG ASP A 20 4.178 -7.599 -8.335 1.00 0.00 C ATOM 275 OD1 ASP A 20 4.855 -6.722 -7.760 1.00 0.00 O ATOM 276 OD2 ASP A 20 3.733 -7.471 -9.495 1.00 0.00 O ATOM 0 H ASP A 20 3.269 -10.675 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 20 3.289 -8.028 -5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.805 -9.281 -7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.504 -9.630 -8.289 1.00 0.00 H new ATOM 281 N THR A 21 1.366 -6.783 -6.616 1.00 0.00 N ATOM 282 CA THR A 21 0.191 -6.056 -7.065 1.00 0.00 C ATOM 283 C THR A 21 0.553 -4.626 -7.434 1.00 0.00 C ATOM 284 O THR A 21 1.324 -3.964 -6.742 1.00 0.00 O ATOM 285 CB THR A 21 -0.894 -6.080 -5.984 1.00 0.00 C ATOM 286 OG1 THR A 21 -1.622 -7.292 -6.040 1.00 0.00 O ATOM 287 CG2 THR A 21 -1.892 -4.944 -6.098 1.00 0.00 C ATOM 0 H THR A 21 1.971 -6.262 -5.981 1.00 0.00 H new ATOM 0 HA THR A 21 -0.200 -6.546 -7.957 1.00 0.00 H new ATOM 0 HB THR A 21 -0.360 -5.974 -5.040 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.043 -8.034 -5.769 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.630 -5.026 -5.300 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.370 -3.991 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.395 -4.997 -7.064 1.00 0.00 H new ATOM 295 N LYS A 22 0.009 -4.171 -8.543 1.00 0.00 N ATOM 296 CA LYS A 22 0.269 -2.840 -9.035 1.00 0.00 C ATOM 297 C LYS A 22 -0.898 -1.900 -8.778 1.00 0.00 C ATOM 298 O LYS A 22 -1.988 -2.080 -9.323 1.00 0.00 O ATOM 299 CB LYS A 22 0.571 -2.889 -10.533 1.00 0.00 C ATOM 300 CG LYS A 22 0.098 -4.160 -11.220 1.00 0.00 C ATOM 301 CD LYS A 22 0.550 -4.212 -12.670 1.00 0.00 C ATOM 302 CE LYS A 22 -0.613 -4.028 -13.625 1.00 0.00 C ATOM 303 NZ LYS A 22 -1.235 -2.682 -13.492 1.00 0.00 N ATOM 0 H LYS A 22 -0.626 -4.716 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 22 1.133 -2.453 -8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.102 -2.032 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.646 -2.788 -10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.484 -5.028 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.990 -4.216 -11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.294 -3.435 -12.848 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.035 -5.168 -12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.267 -4.168 -14.649 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.364 -4.795 -13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.993 -2.579 -14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.633 -2.577 -12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.514 -1.949 -13.649 1.00 0.00 H new ATOM 317 N ILE A 23 -0.656 -0.887 -7.957 1.00 0.00 N ATOM 318 CA ILE A 23 -1.668 0.098 -7.629 1.00 0.00 C ATOM 319 C ILE A 23 -1.617 1.253 -8.630 1.00 0.00 C ATOM 320 O ILE A 23 -0.600 1.460 -9.295 1.00 0.00 O ATOM 321 CB ILE A 23 -1.468 0.614 -6.187 1.00 0.00 C ATOM 322 CG1 ILE A 23 -2.696 0.273 -5.336 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.175 2.115 -6.165 1.00 0.00 C ATOM 324 CD1 ILE A 23 -2.869 1.157 -4.118 1.00 0.00 C ATOM 0 H ILE A 23 0.244 -0.729 -7.504 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.651 -0.370 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.599 0.115 -5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.588 0.350 -5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.623 -0.765 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.040 2.444 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.267 2.317 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.010 2.655 -6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.760 0.851 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.996 1.062 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.976 2.195 -4.434 1.00 0.00 H new ATOM 336 N THR A 24 -2.712 2.002 -8.737 1.00 0.00 N ATOM 337 CA THR A 24 -2.773 3.123 -9.665 1.00 0.00 C ATOM 338 C THR A 24 -2.938 4.439 -8.916 1.00 0.00 C ATOM 339 O THR A 24 -4.003 4.725 -8.368 1.00 0.00 O ATOM 340 CB THR A 24 -3.925 2.934 -10.651 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.855 1.660 -11.267 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.944 3.974 -11.753 1.00 0.00 C ATOM 0 H THR A 24 -3.563 1.853 -8.195 1.00 0.00 H new ATOM 0 HA THR A 24 -1.834 3.157 -10.218 1.00 0.00 H new ATOM 0 HB THR A 24 -4.833 3.036 -10.057 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.602 1.558 -11.893 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.786 3.783 -12.419 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.046 4.967 -11.315 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.014 3.921 -12.319 1.00 0.00 H new ATOM 350 N LEU A 25 -1.878 5.235 -8.900 1.00 0.00 N ATOM 351 CA LEU A 25 -1.889 6.514 -8.229 1.00 0.00 C ATOM 352 C LEU A 25 -2.263 7.625 -9.206 1.00 0.00 C ATOM 353 O LEU A 25 -1.400 8.187 -9.876 1.00 0.00 O ATOM 354 CB LEU A 25 -0.512 6.762 -7.635 1.00 0.00 C ATOM 355 CG LEU A 25 -0.382 6.410 -6.154 1.00 0.00 C ATOM 356 CD1 LEU A 25 0.431 5.140 -5.979 1.00 0.00 C ATOM 357 CD2 LEU A 25 0.242 7.559 -5.386 1.00 0.00 C ATOM 0 H LEU A 25 -0.992 5.008 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.634 6.508 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.221 6.183 -8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.258 7.814 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.380 6.235 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.514 4.904 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.063 4.318 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.427 5.285 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.326 7.290 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.233 7.769 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.385 8.445 -5.485 1.00 0.00 H new ATOM 369 N THR A 26 -3.555 7.922 -9.290 1.00 0.00 N ATOM 370 CA THR A 26 -4.040 8.953 -10.198 1.00 0.00 C ATOM 371 C THR A 26 -3.605 10.343 -9.735 1.00 0.00 C ATOM 372 O THR A 26 -4.063 10.847 -8.698 1.00 0.00 O ATOM 373 CB THR A 26 -5.560 8.876 -10.320 1.00 0.00 C ATOM 374 OG1 THR A 26 -5.961 7.593 -10.768 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.134 9.895 -11.282 1.00 0.00 C ATOM 0 H THR A 26 -4.283 7.464 -8.742 1.00 0.00 H new ATOM 0 HA THR A 26 -3.601 8.777 -11.180 1.00 0.00 H new ATOM 0 HB THR A 26 -5.942 9.085 -9.321 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.938 7.562 -10.839 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.218 9.787 -11.323 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.882 10.899 -10.941 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.716 9.733 -12.276 1.00 0.00 H new ATOM 383 N PRO A 27 -2.693 10.970 -10.508 1.00 0.00 N ATOM 384 CA PRO A 27 -2.136 12.296 -10.221 1.00 0.00 C ATOM 385 C PRO A 27 -2.892 13.420 -10.906 1.00 0.00 C ATOM 386 O PRO A 27 -2.470 14.565 -10.859 1.00 0.00 O ATOM 387 CB PRO A 27 -0.763 12.168 -10.842 1.00 0.00 C ATOM 388 CG PRO A 27 -1.033 11.416 -12.097 1.00 0.00 C ATOM 389 CD PRO A 27 -2.108 10.419 -11.746 1.00 0.00 C ATOM 0 HA PRO A 27 -2.166 12.545 -9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.318 13.143 -11.043 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.073 11.631 -10.190 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.363 12.085 -12.892 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.134 10.914 -12.455 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.851 10.334 -12.539 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.696 9.423 -11.587 1.00 0.00 H new ATOM 397 N ASN A 28 -3.978 13.046 -11.565 1.00 0.00 N ATOM 398 CA ASN A 28 -4.834 13.936 -12.321 1.00 0.00 C ATOM 399 C ASN A 28 -4.969 15.283 -11.649 1.00 0.00 C ATOM 400 O ASN A 28 -6.031 15.672 -11.160 1.00 0.00 O ATOM 401 CB ASN A 28 -6.216 13.307 -12.495 1.00 0.00 C ATOM 402 CG ASN A 28 -6.664 13.278 -13.943 1.00 0.00 C ATOM 403 OD1 ASN A 28 -5.950 12.788 -14.818 1.00 0.00 O ATOM 404 ND2 ASN A 28 -7.855 13.809 -14.205 1.00 0.00 N ATOM 0 H ASN A 28 -4.296 12.077 -11.586 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.374 14.090 -13.297 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.201 12.290 -12.103 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.942 13.865 -11.905 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.209 13.821 -15.162 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.414 14.205 -13.449 1.00 0.00 H new ATOM 411 N GLY A 29 -3.858 15.968 -11.642 1.00 0.00 N ATOM 412 CA GLY A 29 -3.771 17.289 -11.045 1.00 0.00 C ATOM 413 C GLY A 29 -2.806 17.330 -9.878 1.00 0.00 C ATOM 414 O GLY A 29 -2.190 18.358 -9.600 1.00 0.00 O ATOM 0 H GLY A 29 -2.984 15.634 -12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.454 18.007 -11.801 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.760 17.598 -10.707 1.00 0.00 H new ATOM 418 N ASN A 30 -2.683 16.201 -9.202 1.00 0.00 N ATOM 419 CA ASN A 30 -1.799 16.069 -8.055 1.00 0.00 C ATOM 420 C ASN A 30 -0.552 15.270 -8.424 1.00 0.00 C ATOM 421 O ASN A 30 -0.526 14.584 -9.445 1.00 0.00 O ATOM 422 CB ASN A 30 -2.532 15.378 -6.905 1.00 0.00 C ATOM 423 CG ASN A 30 -4.040 15.361 -7.097 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.762 16.126 -6.463 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.523 14.493 -7.982 1.00 0.00 N ATOM 0 H ASN A 30 -3.193 15.348 -9.432 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.494 17.067 -7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.170 14.354 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.294 15.886 -5.970 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.527 14.446 -8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.889 13.875 -8.488 1.00 0.00 H new ATOM 432 N THR A 31 0.472 15.353 -7.585 1.00 0.00 N ATOM 433 CA THR A 31 1.709 14.627 -7.830 1.00 0.00 C ATOM 434 C THR A 31 1.974 13.627 -6.715 1.00 0.00 C ATOM 435 O THR A 31 1.516 13.796 -5.587 1.00 0.00 O ATOM 436 CB THR A 31 2.892 15.582 -7.953 1.00 0.00 C ATOM 437 OG1 THR A 31 4.100 14.852 -8.078 1.00 0.00 O ATOM 438 CG2 THR A 31 3.038 16.514 -6.771 1.00 0.00 C ATOM 0 H THR A 31 0.470 15.913 -6.733 1.00 0.00 H new ATOM 0 HA THR A 31 1.595 14.090 -8.772 1.00 0.00 H new ATOM 0 HB THR A 31 2.693 16.184 -8.840 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.852 15.475 -8.158 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.899 17.165 -6.925 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.138 17.120 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.183 15.929 -5.863 1.00 0.00 H new ATOM 446 N PHE A 32 2.717 12.586 -7.047 1.00 0.00 N ATOM 447 CA PHE A 32 3.050 11.542 -6.081 1.00 0.00 C ATOM 448 C PHE A 32 4.553 11.493 -5.820 1.00 0.00 C ATOM 449 O PHE A 32 5.359 11.710 -6.721 1.00 0.00 O ATOM 450 CB PHE A 32 2.559 10.184 -6.590 1.00 0.00 C ATOM 451 CG PHE A 32 2.960 9.027 -5.720 1.00 0.00 C ATOM 452 CD1 PHE A 32 2.901 9.122 -4.341 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.395 7.839 -6.289 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.270 8.057 -3.543 1.00 0.00 C ATOM 455 CE2 PHE A 32 3.766 6.771 -5.496 1.00 0.00 C ATOM 456 CZ PHE A 32 3.703 6.880 -4.122 1.00 0.00 C ATOM 0 H PHE A 32 3.104 12.437 -7.979 1.00 0.00 H new ATOM 0 HA PHE A 32 2.551 11.776 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.472 10.208 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.947 10.022 -7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.562 10.040 -3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.444 7.748 -7.364 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.220 8.144 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.105 5.852 -5.951 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.992 6.046 -3.500 1.00 0.00 H new ATOM 466 N ASN A 33 4.916 11.205 -4.576 1.00 0.00 N ATOM 467 CA ASN A 33 6.318 11.125 -4.182 1.00 0.00 C ATOM 468 C ASN A 33 6.708 9.688 -3.855 1.00 0.00 C ATOM 469 O ASN A 33 7.670 9.157 -4.407 1.00 0.00 O ATOM 470 CB ASN A 33 6.584 12.027 -2.976 1.00 0.00 C ATOM 471 CG ASN A 33 7.983 12.609 -2.987 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.974 11.879 -2.976 1.00 0.00 O ATOM 473 ND2 ASN A 33 8.071 13.933 -3.010 1.00 0.00 N ATOM 0 H ASN A 33 4.256 11.022 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 33 6.926 11.466 -5.020 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.856 12.838 -2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.438 11.456 -2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.986 14.383 -3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.223 14.500 -3.018 1.00 0.00 H new ATOM 480 N GLY A 34 5.956 9.060 -2.953 1.00 0.00 N ATOM 481 CA GLY A 34 6.250 7.689 -2.580 1.00 0.00 C ATOM 482 C GLY A 34 5.647 7.290 -1.244 1.00 0.00 C ATOM 483 O GLY A 34 5.387 8.137 -0.387 1.00 0.00 O ATOM 0 H GLY A 34 5.154 9.474 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.875 7.020 -3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.331 7.554 -2.538 1.00 0.00 H new ATOM 487 N ILE A 35 5.417 5.988 -1.080 1.00 0.00 N ATOM 488 CA ILE A 35 4.853 5.441 0.116 1.00 0.00 C ATOM 489 C ILE A 35 5.964 5.020 1.089 1.00 0.00 C ATOM 490 O ILE A 35 6.353 3.852 1.193 1.00 0.00 O ATOM 491 CB ILE A 35 3.917 4.279 -0.259 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.884 3.186 0.785 1.00 0.00 C ATOM 493 CG2 ILE A 35 4.255 3.677 -1.616 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.693 3.695 2.187 1.00 0.00 C ATOM 0 H ILE A 35 5.626 5.289 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 35 4.260 6.194 0.635 1.00 0.00 H new ATOM 0 HB ILE A 35 2.924 4.725 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.078 2.492 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.815 2.621 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.566 2.861 -1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.166 4.443 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.276 3.295 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.680 2.854 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.513 4.366 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.748 4.235 2.253 1.00 0.00 H new ATOM 506 N SER A 36 6.470 6.022 1.793 1.00 0.00 N ATOM 507 CA SER A 36 7.557 5.845 2.760 1.00 0.00 C ATOM 508 C SER A 36 7.164 4.924 3.888 1.00 0.00 C ATOM 509 O SER A 36 8.034 4.345 4.541 1.00 0.00 O ATOM 510 CB SER A 36 8.002 7.200 3.318 1.00 0.00 C ATOM 511 OG SER A 36 8.890 7.851 2.428 1.00 0.00 O ATOM 0 H SER A 36 6.142 6.984 1.714 1.00 0.00 H new ATOM 0 HA SER A 36 8.390 5.383 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.129 7.830 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.489 7.057 4.283 1.00 0.00 H new ATOM 0 HG SER A 36 9.158 8.714 2.806 1.00 0.00 H new ATOM 517 N GLU A 37 5.869 4.742 4.100 1.00 0.00 N ATOM 518 CA GLU A 37 5.425 3.833 5.130 1.00 0.00 C ATOM 519 C GLU A 37 6.274 2.577 5.015 1.00 0.00 C ATOM 520 O GLU A 37 6.659 1.972 6.014 1.00 0.00 O ATOM 521 CB GLU A 37 3.944 3.522 4.942 1.00 0.00 C ATOM 522 CG GLU A 37 3.176 3.325 6.233 1.00 0.00 C ATOM 523 CD GLU A 37 1.799 3.955 6.164 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.348 4.266 5.038 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.175 4.139 7.229 1.00 0.00 O ATOM 0 H GLU A 37 5.124 5.205 3.580 1.00 0.00 H new ATOM 0 HA GLU A 37 5.539 4.269 6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.483 4.334 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.849 2.621 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.079 2.259 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.736 3.762 7.060 1.00 0.00 H new ATOM 532 N LEU A 38 6.617 2.240 3.762 1.00 0.00 N ATOM 533 CA LEU A 38 7.474 1.113 3.473 1.00 0.00 C ATOM 534 C LEU A 38 8.536 1.510 2.452 1.00 0.00 C ATOM 535 O LEU A 38 8.278 1.560 1.247 1.00 0.00 O ATOM 536 CB LEU A 38 6.677 -0.074 2.948 1.00 0.00 C ATOM 537 CG LEU A 38 5.597 -0.632 3.872 1.00 0.00 C ATOM 538 CD1 LEU A 38 5.396 -2.114 3.601 1.00 0.00 C ATOM 539 CD2 LEU A 38 5.931 -0.419 5.339 1.00 0.00 C ATOM 0 H LEU A 38 6.303 2.747 2.935 1.00 0.00 H new ATOM 0 HA LEU A 38 7.955 0.815 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.205 0.220 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.375 -0.878 2.715 1.00 0.00 H new ATOM 0 HG LEU A 38 4.676 -0.088 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.624 -2.504 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.089 -2.256 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.330 -2.646 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.134 -0.832 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.870 -0.920 5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.029 0.648 5.539 1.00 0.00 H new ATOM 551 N GLN A 39 9.716 1.813 2.966 1.00 0.00 N ATOM 552 CA GLN A 39 10.850 2.238 2.182 1.00 0.00 C ATOM 553 C GLN A 39 10.843 1.608 0.814 1.00 0.00 C ATOM 554 O GLN A 39 11.292 0.485 0.599 1.00 0.00 O ATOM 555 CB GLN A 39 12.155 1.898 2.906 1.00 0.00 C ATOM 556 CG GLN A 39 12.201 2.396 4.341 1.00 0.00 C ATOM 557 CD GLN A 39 12.230 1.264 5.350 1.00 0.00 C ATOM 558 OE1 GLN A 39 13.153 0.451 5.364 1.00 0.00 O ATOM 559 NE2 GLN A 39 11.214 1.208 6.204 1.00 0.00 N ATOM 0 H GLN A 39 9.911 1.767 3.966 1.00 0.00 H new ATOM 0 HA GLN A 39 10.778 3.318 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.293 0.817 2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.990 2.329 2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.083 3.021 4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.332 3.025 4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.469 1.903 6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.179 0.470 6.907 1.00 0.00 H new ATOM 568 N SER A 40 10.300 2.406 -0.071 1.00 0.00 N ATOM 569 CA SER A 40 10.130 2.116 -1.504 1.00 0.00 C ATOM 570 C SER A 40 10.711 0.779 -1.935 1.00 0.00 C ATOM 571 O SER A 40 10.121 0.084 -2.754 1.00 0.00 O ATOM 572 CB SER A 40 10.756 3.234 -2.338 1.00 0.00 C ATOM 573 OG SER A 40 12.105 3.455 -1.965 1.00 0.00 O ATOM 0 H SER A 40 9.941 3.326 0.184 1.00 0.00 H new ATOM 0 HA SER A 40 9.055 2.058 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.706 2.975 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.184 4.153 -2.208 1.00 0.00 H new ATOM 0 HG SER A 40 12.483 4.173 -2.514 1.00 0.00 H new ATOM 579 N SER A 41 11.856 0.420 -1.395 1.00 0.00 N ATOM 580 CA SER A 41 12.482 -0.844 -1.745 1.00 0.00 C ATOM 581 C SER A 41 11.475 -1.988 -1.606 1.00 0.00 C ATOM 582 O SER A 41 11.599 -3.026 -2.254 1.00 0.00 O ATOM 583 CB SER A 41 13.708 -1.102 -0.865 1.00 0.00 C ATOM 584 OG SER A 41 13.724 -2.431 -0.374 1.00 0.00 O ATOM 0 H SER A 41 12.372 0.979 -0.716 1.00 0.00 H new ATOM 0 HA SER A 41 12.812 -0.791 -2.783 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.615 -0.914 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.710 -0.404 -0.028 1.00 0.00 H new ATOM 0 HG SER A 41 14.519 -2.565 0.183 1.00 0.00 H new ATOM 590 N GLN A 42 10.474 -1.771 -0.759 1.00 0.00 N ATOM 591 CA GLN A 42 9.428 -2.748 -0.513 1.00 0.00 C ATOM 592 C GLN A 42 8.555 -2.942 -1.755 1.00 0.00 C ATOM 593 O GLN A 42 7.962 -4.003 -1.971 1.00 0.00 O ATOM 594 CB GLN A 42 8.585 -2.244 0.652 1.00 0.00 C ATOM 595 CG GLN A 42 7.450 -1.313 0.255 1.00 0.00 C ATOM 596 CD GLN A 42 6.080 -1.920 0.486 1.00 0.00 C ATOM 597 OE1 GLN A 42 5.125 -1.213 0.810 1.00 0.00 O ATOM 598 NE2 GLN A 42 5.973 -3.231 0.313 1.00 0.00 N ATOM 0 H GLN A 42 10.368 -0.909 -0.224 1.00 0.00 H new ATOM 0 HA GLN A 42 9.873 -3.714 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.167 -3.102 1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.235 -1.724 1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.532 -0.386 0.823 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.553 -1.051 -0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.791 -3.778 0.044 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.073 -3.692 0.449 1.00 0.00 H new ATOM 607 N TYR A 43 8.482 -1.891 -2.547 1.00 0.00 N ATOM 608 CA TYR A 43 7.687 -1.883 -3.766 1.00 0.00 C ATOM 609 C TYR A 43 8.468 -1.283 -4.923 1.00 0.00 C ATOM 610 O TYR A 43 9.662 -1.001 -4.816 1.00 0.00 O ATOM 611 CB TYR A 43 6.397 -1.088 -3.541 1.00 0.00 C ATOM 612 CG TYR A 43 6.634 0.325 -3.069 1.00 0.00 C ATOM 613 CD1 TYR A 43 7.158 1.281 -3.929 1.00 0.00 C ATOM 614 CD2 TYR A 43 6.339 0.701 -1.767 1.00 0.00 C ATOM 615 CE1 TYR A 43 7.379 2.576 -3.501 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.560 1.992 -1.333 1.00 0.00 C ATOM 617 CZ TYR A 43 7.080 2.927 -2.201 1.00 0.00 C ATOM 618 OH TYR A 43 7.299 4.217 -1.772 1.00 0.00 O ATOM 0 H TYR A 43 8.972 -1.015 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 43 7.439 -2.914 -4.019 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.829 -1.061 -4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.782 -1.609 -2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.396 1.009 -4.947 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.930 -0.028 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.784 3.310 -4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.326 2.269 -0.316 1.00 0.00 H new ATOM 0 HH TYR A 43 7.435 4.801 -2.547 1.00 0.00 H new ATOM 628 N THR A 44 7.775 -1.091 -6.028 1.00 0.00 N ATOM 629 CA THR A 44 8.356 -0.524 -7.221 1.00 0.00 C ATOM 630 C THR A 44 7.398 0.481 -7.825 1.00 0.00 C ATOM 631 O THR A 44 6.465 0.139 -8.554 1.00 0.00 O ATOM 632 CB THR A 44 8.698 -1.622 -8.219 1.00 0.00 C ATOM 633 OG1 THR A 44 9.564 -1.139 -9.230 1.00 0.00 O ATOM 634 CG2 THR A 44 7.490 -2.228 -8.896 1.00 0.00 C ATOM 0 H THR A 44 6.787 -1.327 -6.120 1.00 0.00 H new ATOM 0 HA THR A 44 9.281 -0.010 -6.961 1.00 0.00 H new ATOM 0 HB THR A 44 9.182 -2.398 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.770 -1.863 -9.857 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.813 -3.002 -9.592 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.834 -2.667 -8.144 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.951 -1.453 -9.440 1.00 0.00 H new ATOM 642 N LYS A 45 7.631 1.728 -7.475 1.00 0.00 N ATOM 643 CA LYS A 45 6.800 2.835 -7.931 1.00 0.00 C ATOM 644 C LYS A 45 6.970 3.077 -9.424 1.00 0.00 C ATOM 645 O LYS A 45 7.909 2.587 -10.051 1.00 0.00 O ATOM 646 CB LYS A 45 7.139 4.110 -7.145 1.00 0.00 C ATOM 647 CG LYS A 45 7.094 5.391 -7.969 1.00 0.00 C ATOM 648 CD LYS A 45 7.555 6.591 -7.157 1.00 0.00 C ATOM 649 CE LYS A 45 8.845 7.174 -7.707 1.00 0.00 C ATOM 650 NZ LYS A 45 8.735 7.497 -9.156 1.00 0.00 N ATOM 0 H LYS A 45 8.400 2.009 -6.867 1.00 0.00 H new ATOM 0 HA LYS A 45 5.758 2.570 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.442 4.204 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.136 4.003 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.727 5.281 -8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.078 5.560 -8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.778 7.355 -7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.703 6.294 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.101 8.077 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.658 6.465 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.303 8.342 -9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.085 6.695 -9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.740 7.680 -9.396 1.00 0.00 H new ATOM 664 N GLY A 46 6.042 3.843 -9.977 1.00 0.00 N ATOM 665 CA GLY A 46 6.068 4.166 -11.384 1.00 0.00 C ATOM 666 C GLY A 46 5.248 5.404 -11.687 1.00 0.00 C ATOM 667 O GLY A 46 4.169 5.311 -12.270 1.00 0.00 O ATOM 0 H GLY A 46 5.260 4.251 -9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.098 4.324 -11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.682 3.324 -11.959 1.00 0.00 H new ATOM 671 N THR A 47 5.769 6.562 -11.274 1.00 0.00 N ATOM 672 CA THR A 47 5.101 7.854 -11.487 1.00 0.00 C ATOM 673 C THR A 47 3.630 7.686 -11.859 1.00 0.00 C ATOM 674 O THR A 47 3.300 7.335 -12.993 1.00 0.00 O ATOM 675 CB THR A 47 5.822 8.642 -12.581 1.00 0.00 C ATOM 676 OG1 THR A 47 7.162 8.909 -12.210 1.00 0.00 O ATOM 677 CG2 THR A 47 5.163 9.967 -12.895 1.00 0.00 C ATOM 0 H THR A 47 6.661 6.634 -10.785 1.00 0.00 H new ATOM 0 HA THR A 47 5.144 8.402 -10.546 1.00 0.00 H new ATOM 0 HB THR A 47 5.777 8.010 -13.468 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.605 9.412 -12.925 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.724 10.476 -13.679 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.141 9.794 -13.234 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.148 10.587 -11.999 1.00 0.00 H new ATOM 685 N ASN A 48 2.750 7.936 -10.889 1.00 0.00 N ATOM 686 CA ASN A 48 1.306 7.811 -11.091 1.00 0.00 C ATOM 687 C ASN A 48 0.831 6.399 -10.774 1.00 0.00 C ATOM 688 O ASN A 48 -0.357 6.159 -10.597 1.00 0.00 O ATOM 689 CB ASN A 48 0.906 8.188 -12.521 1.00 0.00 C ATOM 690 CG ASN A 48 1.641 9.414 -13.029 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.276 10.135 -12.258 1.00 0.00 O ATOM 692 ND2 ASN A 48 1.559 9.657 -14.331 1.00 0.00 N ATOM 0 H ASN A 48 3.015 8.229 -9.948 1.00 0.00 H new ATOM 0 HA ASN A 48 0.823 8.507 -10.405 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.108 7.347 -13.184 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.168 8.372 -12.557 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.033 10.468 -14.729 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.022 9.033 -14.933 1.00 0.00 H new ATOM 699 N GLU A 49 1.773 5.471 -10.695 1.00 0.00 N ATOM 700 CA GLU A 49 1.457 4.082 -10.390 1.00 0.00 C ATOM 701 C GLU A 49 2.542 3.467 -9.525 1.00 0.00 C ATOM 702 O GLU A 49 3.616 4.036 -9.370 1.00 0.00 O ATOM 703 CB GLU A 49 1.304 3.271 -11.677 1.00 0.00 C ATOM 704 CG GLU A 49 -0.125 3.164 -12.166 1.00 0.00 C ATOM 705 CD GLU A 49 -0.240 3.321 -13.670 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.672 3.908 -14.277 1.00 0.00 O ATOM 707 OE2 GLU A 49 -1.251 2.856 -14.238 1.00 0.00 O ATOM 0 H GLU A 49 2.766 5.655 -10.838 1.00 0.00 H new ATOM 0 HA GLU A 49 0.514 4.062 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.912 3.728 -12.458 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.698 2.268 -11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.534 2.197 -11.873 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.730 3.927 -11.677 1.00 0.00 H new ATOM 714 N VAL A 50 2.255 2.300 -8.968 1.00 0.00 N ATOM 715 CA VAL A 50 3.217 1.599 -8.119 1.00 0.00 C ATOM 716 C VAL A 50 2.872 0.122 -8.033 1.00 0.00 C ATOM 717 O VAL A 50 1.731 -0.261 -8.258 1.00 0.00 O ATOM 718 CB VAL A 50 3.263 2.180 -6.692 1.00 0.00 C ATOM 719 CG1 VAL A 50 4.444 1.612 -5.919 1.00 0.00 C ATOM 720 CG2 VAL A 50 3.327 3.698 -6.729 1.00 0.00 C ATOM 0 H VAL A 50 1.365 1.816 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 50 4.196 1.732 -8.579 1.00 0.00 H new ATOM 0 HB VAL A 50 2.346 1.891 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.459 2.035 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.350 0.528 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.371 1.866 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.359 4.086 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.223 4.011 -7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.445 4.087 -7.238 1.00 0.00 H new ATOM 730 N THR A 51 3.861 -0.700 -7.713 1.00 0.00 N ATOM 731 CA THR A 51 3.635 -2.130 -7.611 1.00 0.00 C ATOM 732 C THR A 51 4.368 -2.719 -6.415 1.00 0.00 C ATOM 733 O THR A 51 5.596 -2.679 -6.348 1.00 0.00 O ATOM 734 CB THR A 51 4.094 -2.816 -8.894 1.00 0.00 C ATOM 735 OG1 THR A 51 3.473 -2.235 -10.024 1.00 0.00 O ATOM 736 CG2 THR A 51 3.808 -4.302 -8.918 1.00 0.00 C ATOM 0 H THR A 51 4.818 -0.403 -7.522 1.00 0.00 H new ATOM 0 HA THR A 51 2.568 -2.299 -7.469 1.00 0.00 H new ATOM 0 HB THR A 51 5.174 -2.675 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.667 -2.775 -10.818 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.160 -4.725 -9.859 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.323 -4.785 -8.087 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.735 -4.467 -8.825 1.00 0.00 H new ATOM 744 N LEU A 52 3.614 -3.288 -5.478 1.00 0.00 N ATOM 745 CA LEU A 52 4.226 -3.904 -4.304 1.00 0.00 C ATOM 746 C LEU A 52 4.622 -5.332 -4.618 1.00 0.00 C ATOM 747 O LEU A 52 3.933 -6.019 -5.378 1.00 0.00 O ATOM 748 CB LEU A 52 3.312 -3.896 -3.071 1.00 0.00 C ATOM 749 CG LEU A 52 1.848 -3.505 -3.270 1.00 0.00 C ATOM 750 CD1 LEU A 52 1.722 -2.085 -3.805 1.00 0.00 C ATOM 751 CD2 LEU A 52 1.141 -4.499 -4.173 1.00 0.00 C ATOM 0 H LEU A 52 2.596 -3.336 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 52 5.103 -3.304 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.335 -4.893 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.744 -3.214 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 52 1.359 -3.531 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.669 -1.838 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.173 -1.389 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.234 -2.011 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.101 -4.200 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.633 -4.521 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.181 -5.491 -3.723 1.00 0.00 H new ATOM 763 N LEU A 53 5.738 -5.782 -4.048 1.00 0.00 N ATOM 764 CA LEU A 53 6.198 -7.135 -4.300 1.00 0.00 C ATOM 765 C LEU A 53 6.046 -8.032 -3.078 1.00 0.00 C ATOM 766 O LEU A 53 6.648 -7.800 -2.031 1.00 0.00 O ATOM 767 CB LEU A 53 7.650 -7.138 -4.790 1.00 0.00 C ATOM 768 CG LEU A 53 8.620 -6.284 -3.972 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.372 -7.146 -2.968 1.00 0.00 C ATOM 770 CD2 LEU A 53 9.594 -5.560 -4.888 1.00 0.00 C ATOM 0 H LEU A 53 6.328 -5.236 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 53 5.563 -7.544 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.012 -8.166 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.668 -6.790 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 53 8.045 -5.539 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.058 -6.522 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.661 -7.621 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.936 -7.913 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.277 -4.957 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.164 -6.290 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.041 -4.913 -5.569 1.00 0.00 H new ATOM 782 N ALA A 54 5.240 -9.071 -3.240 1.00 0.00 N ATOM 783 CA ALA A 54 4.970 -10.042 -2.186 1.00 0.00 C ATOM 784 C ALA A 54 6.221 -10.435 -1.405 1.00 0.00 C ATOM 785 O ALA A 54 6.121 -11.046 -0.345 1.00 0.00 O ATOM 786 CB ALA A 54 4.337 -11.288 -2.786 1.00 0.00 C ATOM 0 H ALA A 54 4.750 -9.267 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 54 4.287 -9.565 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.137 -12.011 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.402 -11.020 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.018 -11.727 -3.515 1.00 0.00 H new ATOM 792 N SER A 55 7.392 -10.106 -1.929 1.00 0.00 N ATOM 793 CA SER A 55 8.637 -10.464 -1.260 1.00 0.00 C ATOM 794 C SER A 55 8.841 -9.649 0.007 1.00 0.00 C ATOM 795 O SER A 55 9.206 -10.193 1.045 1.00 0.00 O ATOM 796 CB SER A 55 9.827 -10.284 -2.202 1.00 0.00 C ATOM 797 OG SER A 55 9.401 -10.213 -3.552 1.00 0.00 O ATOM 0 H SER A 55 7.508 -9.597 -2.805 1.00 0.00 H new ATOM 0 HA SER A 55 8.568 -11.515 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.369 -9.375 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.521 -11.115 -2.079 1.00 0.00 H new ATOM 0 HG SER A 55 10.180 -10.096 -4.135 1.00 0.00 H new ATOM 803 N TYR A 56 8.598 -8.353 -0.078 1.00 0.00 N ATOM 804 CA TYR A 56 8.754 -7.487 1.077 1.00 0.00 C ATOM 805 C TYR A 56 7.538 -7.607 1.973 1.00 0.00 C ATOM 806 O TYR A 56 7.644 -7.848 3.179 1.00 0.00 O ATOM 807 CB TYR A 56 8.935 -6.034 0.650 1.00 0.00 C ATOM 808 CG TYR A 56 9.264 -5.113 1.802 1.00 0.00 C ATOM 809 CD1 TYR A 56 8.324 -4.839 2.789 1.00 0.00 C ATOM 810 CD2 TYR A 56 10.515 -4.518 1.907 1.00 0.00 C ATOM 811 CE1 TYR A 56 8.620 -4.000 3.847 1.00 0.00 C ATOM 812 CE2 TYR A 56 10.820 -3.678 2.963 1.00 0.00 C ATOM 813 CZ TYR A 56 9.871 -3.423 3.928 1.00 0.00 C ATOM 814 OH TYR A 56 10.169 -2.587 4.979 1.00 0.00 O ATOM 0 H TYR A 56 8.294 -7.880 -0.929 1.00 0.00 H new ATOM 0 HA TYR A 56 9.645 -7.799 1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.731 -5.976 -0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.022 -5.688 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.345 -5.290 2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 56 11.262 -4.714 1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.878 -3.798 4.605 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.798 -3.224 3.030 1.00 0.00 H new ATOM 0 HH TYR A 56 11.090 -2.265 4.890 1.00 0.00 H new ATOM 824 N LEU A 57 6.375 -7.434 1.367 1.00 0.00 N ATOM 825 CA LEU A 57 5.132 -7.520 2.101 1.00 0.00 C ATOM 826 C LEU A 57 5.025 -8.850 2.829 1.00 0.00 C ATOM 827 O LEU A 57 4.571 -8.899 3.972 1.00 0.00 O ATOM 828 CB LEU A 57 3.936 -7.329 1.177 1.00 0.00 C ATOM 829 CG LEU A 57 2.733 -6.687 1.852 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.396 -5.359 1.197 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.539 -7.616 1.816 1.00 0.00 C ATOM 0 H LEU A 57 6.270 -7.234 0.372 1.00 0.00 H new ATOM 0 HA LEU A 57 5.127 -6.718 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.238 -6.712 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.641 -8.298 0.775 1.00 0.00 H new ATOM 0 HG LEU A 57 2.989 -6.500 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.533 -4.917 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.248 -4.685 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.164 -5.521 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.690 -7.137 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.283 -7.840 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.782 -8.542 2.338 1.00 0.00 H new ATOM 843 N ASN A 58 5.447 -9.925 2.177 1.00 0.00 N ATOM 844 CA ASN A 58 5.389 -11.232 2.808 1.00 0.00 C ATOM 845 C ASN A 58 6.336 -11.271 4.000 1.00 0.00 C ATOM 846 O ASN A 58 6.150 -12.050 4.935 1.00 0.00 O ATOM 847 CB ASN A 58 5.744 -12.339 1.817 1.00 0.00 C ATOM 848 CG ASN A 58 5.719 -13.716 2.455 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.006 -13.946 3.430 1.00 0.00 O ATOM 850 ND2 ASN A 58 6.501 -14.637 1.903 1.00 0.00 N ATOM 0 H ASN A 58 5.826 -9.918 1.230 1.00 0.00 H new ATOM 0 HA ASN A 58 4.369 -11.403 3.151 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.043 -12.315 0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.735 -12.150 1.405 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.527 -15.581 2.288 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.076 -14.400 1.094 1.00 0.00 H new ATOM 857 N THR A 59 7.357 -10.418 3.953 1.00 0.00 N ATOM 858 CA THR A 59 8.341 -10.341 5.020 1.00 0.00 C ATOM 859 C THR A 59 7.855 -9.434 6.143 1.00 0.00 C ATOM 860 O THR A 59 8.291 -9.562 7.286 1.00 0.00 O ATOM 861 CB THR A 59 9.677 -9.833 4.477 1.00 0.00 C ATOM 862 OG1 THR A 59 10.169 -10.697 3.470 1.00 0.00 O ATOM 863 CG2 THR A 59 10.747 -9.709 5.541 1.00 0.00 C ATOM 0 H THR A 59 7.521 -9.770 3.183 1.00 0.00 H new ATOM 0 HA THR A 59 8.481 -11.344 5.423 1.00 0.00 H new ATOM 0 HB THR A 59 9.469 -8.840 4.078 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.874 -10.377 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.669 -9.344 5.089 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.417 -9.009 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.926 -10.685 5.992 1.00 0.00 H new ATOM 871 N LEU A 60 6.948 -8.516 5.811 1.00 0.00 N ATOM 872 CA LEU A 60 6.402 -7.591 6.800 1.00 0.00 C ATOM 873 C LEU A 60 6.154 -8.300 8.132 1.00 0.00 C ATOM 874 O LEU A 60 5.941 -9.512 8.167 1.00 0.00 O ATOM 875 CB LEU A 60 5.102 -6.969 6.291 1.00 0.00 C ATOM 876 CG LEU A 60 5.280 -5.787 5.337 1.00 0.00 C ATOM 877 CD1 LEU A 60 3.936 -5.334 4.792 1.00 0.00 C ATOM 878 CD2 LEU A 60 5.988 -4.638 6.040 1.00 0.00 C ATOM 0 H LEU A 60 6.578 -8.394 4.868 1.00 0.00 H new ATOM 0 HA LEU A 60 7.134 -6.800 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.522 -7.741 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.515 -6.639 7.148 1.00 0.00 H new ATOM 0 HG LEU A 60 5.897 -6.110 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.083 -4.492 4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.467 -6.156 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.293 -5.028 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.107 -3.805 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.396 -4.316 6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.969 -4.969 6.381 1.00 0.00 H new ATOM 890 N PRO A 61 6.187 -7.553 9.244 1.00 0.00 N ATOM 891 CA PRO A 61 5.975 -8.115 10.580 1.00 0.00 C ATOM 892 C PRO A 61 4.696 -8.942 10.674 1.00 0.00 C ATOM 893 O PRO A 61 3.921 -9.021 9.721 1.00 0.00 O ATOM 894 CB PRO A 61 5.872 -6.879 11.476 1.00 0.00 C ATOM 895 CG PRO A 61 6.630 -5.820 10.752 1.00 0.00 C ATOM 896 CD PRO A 61 6.443 -6.102 9.285 1.00 0.00 C ATOM 0 HA PRO A 61 6.776 -8.799 10.859 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.833 -6.587 11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.299 -7.068 12.461 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.257 -4.829 11.009 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.686 -5.843 11.022 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.609 -5.535 8.870 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.328 -5.834 8.709 1.00 0.00 H new ATOM 904 N GLU A 62 4.489 -9.558 11.833 1.00 0.00 N ATOM 905 CA GLU A 62 3.316 -10.381 12.073 1.00 0.00 C ATOM 906 C GLU A 62 2.040 -9.604 11.827 1.00 0.00 C ATOM 907 O GLU A 62 2.064 -8.523 11.247 1.00 0.00 O ATOM 908 CB GLU A 62 3.346 -10.912 13.505 1.00 0.00 C ATOM 909 CG GLU A 62 4.355 -12.022 13.713 1.00 0.00 C ATOM 910 CD GLU A 62 5.694 -11.510 14.206 1.00 0.00 C ATOM 911 OE1 GLU A 62 6.341 -10.733 13.471 1.00 0.00 O ATOM 912 OE2 GLU A 62 6.099 -11.889 15.327 1.00 0.00 O ATOM 0 H GLU A 62 5.127 -9.500 12.626 1.00 0.00 H new ATOM 0 HA GLU A 62 3.334 -11.218 11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.575 -10.091 14.185 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.354 -11.278 13.770 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.958 -12.739 14.432 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.498 -12.558 12.775 1.00 0.00 H new ATOM 919 N ASN A 63 0.929 -10.189 12.252 1.00 0.00 N ATOM 920 CA ASN A 63 -0.377 -9.601 12.079 1.00 0.00 C ATOM 921 C ASN A 63 -0.347 -8.091 12.280 1.00 0.00 C ATOM 922 O ASN A 63 -0.848 -7.575 13.280 1.00 0.00 O ATOM 923 CB ASN A 63 -1.381 -10.229 13.051 1.00 0.00 C ATOM 924 CG ASN A 63 -0.732 -10.691 14.343 1.00 0.00 C ATOM 925 OD1 ASN A 63 0.230 -10.090 14.814 1.00 0.00 O ATOM 926 ND2 ASN A 63 -1.260 -11.761 14.921 1.00 0.00 N ATOM 0 H ASN A 63 0.916 -11.091 12.729 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.689 -9.802 11.054 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.162 -9.504 13.280 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.866 -11.078 12.569 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.867 -12.116 15.793 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.059 -12.229 14.494 1.00 0.00 H new ATOM 933 N THR A 64 0.238 -7.393 11.321 1.00 0.00 N ATOM 934 CA THR A 64 0.338 -5.939 11.382 1.00 0.00 C ATOM 935 C THR A 64 -0.424 -5.305 10.233 1.00 0.00 C ATOM 936 O THR A 64 -0.465 -5.845 9.129 1.00 0.00 O ATOM 937 CB THR A 64 1.800 -5.496 11.333 1.00 0.00 C ATOM 938 OG1 THR A 64 2.529 -6.261 10.386 1.00 0.00 O ATOM 939 CG2 THR A 64 2.505 -5.609 12.667 1.00 0.00 C ATOM 0 H THR A 64 0.653 -7.809 10.487 1.00 0.00 H new ATOM 0 HA THR A 64 -0.100 -5.611 12.325 1.00 0.00 H new ATOM 0 HB THR A 64 1.773 -4.445 11.046 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.715 -7.149 10.756 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.538 -5.279 12.561 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.997 -4.983 13.401 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.488 -6.646 13.001 1.00 0.00 H new ATOM 947 N THR A 65 -1.037 -4.161 10.499 1.00 0.00 N ATOM 948 CA THR A 65 -1.808 -3.466 9.485 1.00 0.00 C ATOM 949 C THR A 65 -0.935 -2.555 8.644 1.00 0.00 C ATOM 950 O THR A 65 -0.714 -1.392 8.982 1.00 0.00 O ATOM 951 CB THR A 65 -2.931 -2.670 10.125 1.00 0.00 C ATOM 952 OG1 THR A 65 -3.443 -1.705 9.222 1.00 0.00 O ATOM 953 CG2 THR A 65 -2.517 -1.947 11.389 1.00 0.00 C ATOM 0 H THR A 65 -1.014 -3.697 11.407 1.00 0.00 H new ATOM 0 HA THR A 65 -2.237 -4.220 8.825 1.00 0.00 H new ATOM 0 HB THR A 65 -3.690 -3.408 10.385 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.893 -0.994 9.724 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.370 -1.400 11.791 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.171 -2.672 12.126 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.712 -1.248 11.161 1.00 0.00 H new ATOM 961 N LYS A 66 -0.464 -3.092 7.535 1.00 0.00 N ATOM 962 CA LYS A 66 0.360 -2.347 6.616 1.00 0.00 C ATOM 963 C LYS A 66 -0.448 -1.214 6.002 1.00 0.00 C ATOM 964 O LYS A 66 -1.654 -1.342 5.807 1.00 0.00 O ATOM 965 CB LYS A 66 0.893 -3.293 5.533 1.00 0.00 C ATOM 966 CG LYS A 66 1.037 -2.666 4.157 1.00 0.00 C ATOM 967 CD LYS A 66 2.467 -2.280 3.886 1.00 0.00 C ATOM 968 CE LYS A 66 2.617 -1.643 2.513 1.00 0.00 C ATOM 969 NZ LYS A 66 3.041 -2.627 1.481 1.00 0.00 N ATOM 0 H LYS A 66 -0.644 -4.055 7.250 1.00 0.00 H new ATOM 0 HA LYS A 66 1.207 -1.911 7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.865 -3.673 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.225 -4.151 5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.696 -3.368 3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.399 -1.785 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.809 -1.584 4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.103 -3.163 3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.669 -1.194 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.349 -0.837 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.698 -2.171 0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.516 -3.430 1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.206 -2.969 0.963 1.00 0.00 H new ATOM 983 N THR A 67 0.206 -0.106 5.707 1.00 0.00 N ATOM 984 CA THR A 67 -0.468 1.030 5.118 1.00 0.00 C ATOM 985 C THR A 67 0.375 1.666 4.029 1.00 0.00 C ATOM 986 O THR A 67 1.531 2.031 4.257 1.00 0.00 O ATOM 987 CB THR A 67 -0.791 2.060 6.195 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.689 1.523 7.151 1.00 0.00 O ATOM 989 CG2 THR A 67 -1.407 3.331 5.652 1.00 0.00 C ATOM 0 H THR A 67 1.204 0.029 5.867 1.00 0.00 H new ATOM 0 HA THR A 67 -1.394 0.676 4.665 1.00 0.00 H new ATOM 0 HB THR A 67 0.169 2.308 6.647 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.882 2.199 7.834 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.610 4.017 6.474 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.716 3.799 4.951 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.339 3.093 5.139 1.00 0.00 H new ATOM 997 N LEU A 68 -0.202 1.805 2.847 1.00 0.00 N ATOM 998 CA LEU A 68 0.489 2.409 1.723 1.00 0.00 C ATOM 999 C LEU A 68 0.145 3.893 1.629 1.00 0.00 C ATOM 1000 O LEU A 68 -0.751 4.282 0.885 1.00 0.00 O ATOM 1001 CB LEU A 68 0.114 1.698 0.420 1.00 0.00 C ATOM 1002 CG LEU A 68 1.291 1.205 -0.419 1.00 0.00 C ATOM 1003 CD1 LEU A 68 2.207 0.316 0.403 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.789 0.458 -1.642 1.00 0.00 C ATOM 0 H LEU A 68 -1.155 1.505 2.642 1.00 0.00 H new ATOM 0 HA LEU A 68 1.563 2.305 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.521 0.845 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.483 2.379 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 68 1.863 2.073 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.038 -0.022 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.594 0.879 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.648 -0.547 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.638 0.112 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.194 -0.399 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.174 1.124 -2.248 1.00 0.00 H new ATOM 1016 N THR A 69 0.856 4.719 2.398 1.00 0.00 N ATOM 1017 CA THR A 69 0.607 6.152 2.398 1.00 0.00 C ATOM 1018 C THR A 69 1.372 6.833 1.272 1.00 0.00 C ATOM 1019 O THR A 69 2.525 7.232 1.439 1.00 0.00 O ATOM 1020 CB THR A 69 1.006 6.767 3.743 1.00 0.00 C ATOM 1021 OG1 THR A 69 0.152 6.311 4.775 1.00 0.00 O ATOM 1022 CG2 THR A 69 0.965 8.279 3.747 1.00 0.00 C ATOM 0 H THR A 69 1.603 4.418 3.023 1.00 0.00 H new ATOM 0 HA THR A 69 -0.460 6.308 2.240 1.00 0.00 H new ATOM 0 HB THR A 69 2.035 6.449 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.388 5.390 5.012 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.259 8.648 4.730 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.653 8.664 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.046 8.616 3.520 1.00 0.00 H new ATOM 1030 N PHE A 70 0.724 6.968 0.122 1.00 0.00 N ATOM 1031 CA PHE A 70 1.334 7.600 -1.026 1.00 0.00 C ATOM 1032 C PHE A 70 1.499 9.097 -0.789 1.00 0.00 C ATOM 1033 O PHE A 70 0.514 9.829 -0.708 1.00 0.00 O ATOM 1034 CB PHE A 70 0.472 7.354 -2.259 1.00 0.00 C ATOM 1035 CG PHE A 70 0.284 5.895 -2.566 1.00 0.00 C ATOM 1036 CD1 PHE A 70 1.380 5.069 -2.751 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -0.981 5.350 -2.664 1.00 0.00 C ATOM 1038 CE1 PHE A 70 1.216 3.728 -3.029 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -1.153 4.007 -2.943 1.00 0.00 C ATOM 1040 CZ PHE A 70 -0.049 3.195 -3.125 1.00 0.00 C ATOM 0 H PHE A 70 -0.230 6.644 -0.034 1.00 0.00 H new ATOM 0 HA PHE A 70 2.323 7.169 -1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.504 7.817 -2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.930 7.844 -3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.376 5.480 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.846 5.980 -2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.080 3.096 -3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.148 3.593 -3.019 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.179 2.145 -3.342 1.00 0.00 H new ATOM 1050 N ASP A 71 2.745 9.549 -0.669 1.00 0.00 N ATOM 1051 CA ASP A 71 3.008 10.963 -0.432 1.00 0.00 C ATOM 1052 C ASP A 71 2.659 11.789 -1.656 1.00 0.00 C ATOM 1053 O ASP A 71 3.451 11.930 -2.583 1.00 0.00 O ATOM 1054 CB ASP A 71 4.464 11.185 -0.062 1.00 0.00 C ATOM 1055 CG ASP A 71 4.794 12.649 0.139 1.00 0.00 C ATOM 1056 OD1 ASP A 71 3.857 13.447 0.340 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.995 12.999 0.092 1.00 0.00 O ATOM 0 H ASP A 71 3.578 8.964 -0.731 1.00 0.00 H new ATOM 0 HA ASP A 71 2.380 11.283 0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.691 10.636 0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.101 10.776 -0.846 1.00 0.00 H new ATOM 1062 N PHE A 72 1.457 12.334 -1.633 1.00 0.00 N ATOM 1063 CA PHE A 72 0.960 13.162 -2.724 1.00 0.00 C ATOM 1064 C PHE A 72 1.190 14.637 -2.422 1.00 0.00 C ATOM 1065 O PHE A 72 0.485 15.506 -2.932 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.528 12.902 -2.947 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.829 12.112 -4.190 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.826 12.720 -5.433 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -1.117 10.759 -4.113 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -1.106 11.999 -6.576 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.397 10.030 -5.252 1.00 0.00 C ATOM 1072 CZ PHE A 72 -1.393 10.651 -6.485 1.00 0.00 C ATOM 0 H PHE A 72 0.798 12.218 -0.863 1.00 0.00 H new ATOM 0 HA PHE A 72 1.506 12.902 -3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.927 12.369 -2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.050 13.858 -3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.601 13.774 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.123 10.269 -3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.101 12.488 -7.539 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.619 8.976 -5.178 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.614 10.084 -7.377 1.00 0.00 H new ATOM 1082 N GLY A 73 2.179 14.913 -1.578 1.00 0.00 N ATOM 1083 CA GLY A 73 2.481 16.285 -1.214 1.00 0.00 C ATOM 1084 C GLY A 73 1.268 17.030 -0.691 1.00 0.00 C ATOM 1085 O GLY A 73 1.275 18.259 -0.616 1.00 0.00 O ATOM 0 H GLY A 73 2.776 14.212 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.262 16.292 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.877 16.809 -2.084 1.00 0.00 H new ATOM 1089 N VAL A 74 0.227 16.287 -0.330 1.00 0.00 N ATOM 1090 CA VAL A 74 -0.991 16.890 0.182 1.00 0.00 C ATOM 1091 C VAL A 74 -1.234 16.479 1.631 1.00 0.00 C ATOM 1092 O VAL A 74 -1.792 17.247 2.417 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.214 16.493 -0.660 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.012 16.895 -2.111 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.483 14.999 -0.546 1.00 0.00 C ATOM 0 H VAL A 74 0.205 15.269 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.858 17.970 0.125 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.085 17.024 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.887 16.607 -2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.874 17.974 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.130 16.393 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.353 14.739 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.615 14.445 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.674 14.742 0.496 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.813 15.269 1.977 1.00 0.00 N ATOM 1106 CA GLY A 75 -0.995 14.779 3.333 1.00 0.00 C ATOM 1107 C GLY A 75 -2.449 14.539 3.675 1.00 0.00 C ATOM 1108 O GLY A 75 -2.890 13.397 3.790 1.00 0.00 O ATOM 0 H GLY A 75 -0.349 14.617 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.438 13.850 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.575 15.499 4.035 1.00 0.00 H new ATOM 1112 N THR A 76 -3.182 15.624 3.842 1.00 0.00 N ATOM 1113 CA THR A 76 -4.599 15.552 4.181 1.00 0.00 C ATOM 1114 C THR A 76 -5.331 14.565 3.277 1.00 0.00 C ATOM 1115 O THR A 76 -5.853 13.552 3.743 1.00 0.00 O ATOM 1116 CB THR A 76 -5.241 16.937 4.065 1.00 0.00 C ATOM 1117 OG1 THR A 76 -4.592 17.863 4.920 1.00 0.00 O ATOM 1118 CG2 THR A 76 -6.713 16.943 4.412 1.00 0.00 C ATOM 0 H THR A 76 -2.821 16.573 3.749 1.00 0.00 H new ATOM 0 HA THR A 76 -4.681 15.201 5.210 1.00 0.00 H new ATOM 0 HB THR A 76 -5.130 17.222 3.019 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.015 18.743 4.831 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.107 17.954 4.310 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.249 16.275 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.846 16.604 5.439 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.368 14.869 1.985 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.037 14.012 1.019 1.00 0.00 C ATOM 1128 C LYS A 77 -5.101 12.924 0.500 1.00 0.00 C ATOM 1129 O LYS A 77 -5.422 12.221 -0.454 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.573 14.842 -0.146 1.00 0.00 C ATOM 1131 CG LYS A 77 -7.117 16.199 0.268 1.00 0.00 C ATOM 1132 CD LYS A 77 -8.532 16.412 -0.240 1.00 0.00 C ATOM 1133 CE LYS A 77 -9.542 16.405 0.891 1.00 0.00 C ATOM 1134 NZ LYS A 77 -9.093 17.233 2.042 1.00 0.00 N ATOM 0 H LYS A 77 -4.941 15.704 1.584 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.872 13.527 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.775 14.987 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.363 14.282 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.104 16.281 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.469 16.985 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.588 17.362 -0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.783 15.630 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.498 16.780 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.707 15.380 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.000 16.633 2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.173 17.665 1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.792 17.981 2.225 1.00 0.00 H new ATOM 1148 N ASN A 78 -3.948 12.790 1.140 1.00 0.00 N ATOM 1149 CA ASN A 78 -2.964 11.787 0.746 1.00 0.00 C ATOM 1150 C ASN A 78 -3.600 10.402 0.671 1.00 0.00 C ATOM 1151 O ASN A 78 -4.004 9.842 1.692 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.800 11.774 1.741 1.00 0.00 C ATOM 1153 CG ASN A 78 -0.789 10.682 1.447 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.147 9.581 1.031 1.00 0.00 O ATOM 1155 ND2 ASN A 78 0.481 10.983 1.664 1.00 0.00 N ATOM 0 H ASN A 78 -3.669 13.364 1.936 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.588 12.047 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.299 12.742 1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.191 11.639 2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.207 10.289 1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.734 11.909 2.010 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.696 9.823 -0.532 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.282 8.496 -0.723 1.00 0.00 C ATOM 1164 C PRO A 79 -3.480 7.410 -0.016 1.00 0.00 C ATOM 1165 O PRO A 79 -2.632 6.751 -0.620 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.245 8.286 -2.240 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.207 9.233 -2.736 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.237 10.412 -1.803 1.00 0.00 C ATOM 0 HA PRO A 79 -5.287 8.436 -0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.991 7.256 -2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.216 8.493 -2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.223 8.765 -2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.418 9.541 -3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.254 10.871 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.916 11.188 -2.156 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.757 7.229 1.265 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.072 6.221 2.061 1.00 0.00 C ATOM 1178 C LYS A 80 -3.982 5.023 2.285 1.00 0.00 C ATOM 1179 O LYS A 80 -5.079 5.163 2.824 1.00 0.00 O ATOM 1180 CB LYS A 80 -2.634 6.808 3.404 1.00 0.00 C ATOM 1181 CG LYS A 80 -3.653 7.754 4.017 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.479 7.862 5.522 1.00 0.00 C ATOM 1183 CE LYS A 80 -4.405 8.912 6.115 1.00 0.00 C ATOM 1184 NZ LYS A 80 -5.802 8.411 6.244 1.00 0.00 N ATOM 0 H LYS A 80 -4.454 7.769 1.778 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.185 5.894 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.442 5.993 4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.692 7.340 3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.551 8.741 3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.660 7.402 3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.681 6.895 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.444 8.116 5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.034 9.211 7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.395 9.802 5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.402 9.156 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.165 8.150 5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.816 7.577 6.865 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.530 3.847 1.867 1.00 0.00 N ATOM 1199 CA LEU A 81 -4.318 2.642 2.028 1.00 0.00 C ATOM 1200 C LEU A 81 -3.851 1.848 3.238 1.00 0.00 C ATOM 1201 O LEU A 81 -2.737 2.042 3.722 1.00 0.00 O ATOM 1202 CB LEU A 81 -4.250 1.776 0.768 1.00 0.00 C ATOM 1203 CG LEU A 81 -2.856 1.272 0.408 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -2.692 -0.177 0.827 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -2.605 1.429 -1.082 1.00 0.00 C ATOM 0 H LEU A 81 -2.626 3.707 1.417 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.355 2.939 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.908 0.917 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.640 2.351 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.121 1.870 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.692 -0.521 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.832 -0.262 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.434 -0.790 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.606 1.065 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.345 0.854 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.683 2.481 -1.355 1.00 0.00 H new ATOM 1217 N THR A 82 -4.706 0.957 3.727 1.00 0.00 N ATOM 1218 CA THR A 82 -4.370 0.150 4.889 1.00 0.00 C ATOM 1219 C THR A 82 -4.580 -1.331 4.615 1.00 0.00 C ATOM 1220 O THR A 82 -5.695 -1.843 4.713 1.00 0.00 O ATOM 1221 CB THR A 82 -5.201 0.581 6.096 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.131 1.984 6.278 1.00 0.00 O ATOM 1223 CG2 THR A 82 -4.763 -0.068 7.388 1.00 0.00 C ATOM 0 H THR A 82 -5.632 0.777 3.338 1.00 0.00 H new ATOM 0 HA THR A 82 -3.314 0.308 5.108 1.00 0.00 H new ATOM 0 HB THR A 82 -6.219 0.260 5.873 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.671 2.240 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.395 0.282 8.204 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.852 -1.151 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.726 0.195 7.594 1.00 0.00 H new ATOM 1231 N ILE A 83 -3.493 -2.015 4.285 1.00 0.00 N ATOM 1232 CA ILE A 83 -3.536 -3.446 4.013 1.00 0.00 C ATOM 1233 C ILE A 83 -3.042 -4.219 5.239 1.00 0.00 C ATOM 1234 O ILE A 83 -1.932 -3.998 5.719 1.00 0.00 O ATOM 1235 CB ILE A 83 -2.699 -3.807 2.765 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -2.272 -5.276 2.785 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -1.483 -2.903 2.659 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.466 -5.683 1.570 1.00 0.00 C ATOM 0 H ILE A 83 -2.565 -1.599 4.199 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.568 -3.727 3.805 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.328 -3.653 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.683 -5.463 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.160 -5.904 2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.906 -3.172 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.807 -1.865 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.863 -3.022 3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.196 -6.736 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.061 -5.527 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.560 -5.079 1.515 1.00 0.00 H new ATOM 1250 N THR A 84 -3.888 -5.108 5.748 1.00 0.00 N ATOM 1251 CA THR A 84 -3.557 -5.895 6.931 1.00 0.00 C ATOM 1252 C THR A 84 -2.799 -7.163 6.569 1.00 0.00 C ATOM 1253 O THR A 84 -3.293 -8.001 5.819 1.00 0.00 O ATOM 1254 CB THR A 84 -4.830 -6.254 7.700 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.694 -5.135 7.790 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.560 -6.742 9.108 1.00 0.00 C ATOM 0 H THR A 84 -4.811 -5.302 5.359 1.00 0.00 H new ATOM 0 HA THR A 84 -2.910 -5.285 7.561 1.00 0.00 H new ATOM 0 HB THR A 84 -5.292 -7.064 7.135 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.503 -5.385 8.284 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.504 -6.979 9.598 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.936 -7.635 9.070 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.045 -5.963 9.671 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.599 -7.295 7.119 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.767 -8.464 6.867 1.00 0.00 C ATOM 1266 C VAL A 85 -0.746 -9.391 8.076 1.00 0.00 C ATOM 1267 O VAL A 85 -0.285 -9.011 9.153 1.00 0.00 O ATOM 1268 CB VAL A 85 0.676 -8.072 6.527 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.335 -9.145 5.676 1.00 0.00 C ATOM 1270 CG2 VAL A 85 0.720 -6.721 5.825 1.00 0.00 C ATOM 0 H VAL A 85 -1.180 -6.606 7.743 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.207 -8.979 6.013 1.00 0.00 H new ATOM 0 HB VAL A 85 1.234 -7.985 7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.358 -8.849 5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.345 -10.088 6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.775 -9.269 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.754 -6.464 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.144 -6.772 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.294 -5.958 6.477 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.244 -10.606 7.886 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.284 -11.595 8.960 1.00 0.00 C ATOM 1282 C LEU A 86 0.048 -12.328 9.065 1.00 0.00 C ATOM 1283 O LEU A 86 0.851 -12.308 8.136 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.418 -12.596 8.718 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.635 -12.029 7.987 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -4.682 -13.112 7.773 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.226 -10.862 8.765 1.00 0.00 C ATOM 0 H LEU A 86 -1.626 -10.932 6.998 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.468 -11.074 9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.026 -13.435 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.743 -12.993 9.680 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.313 -11.666 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.541 -12.690 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.255 -13.918 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.001 -13.505 8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.092 -10.470 8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.533 -11.202 9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.477 -10.077 8.868 1.00 0.00 H new